4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one

C12H15N5OS2 — CID 103349465

IUPAC4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one
SMILESCc1csc(-c2c(N)nsc2N2CCCNC(=O)C2)n1
InChIInChI=1S/C12H15N5OS2/c1-7-6-19-11(15-7)9-10(13)16-20-12(9)17-4-2-3-14-8(18)5-17/h6H,2-5H2,1H3,(H2,13,16)(H,14,18)
InChIKeyOZOGPZQASGPIPB-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.48
Rot. Bonds2

About 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one

4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one (PubChem CID 103349465) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one
PubChem CID103349465
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one
SMILESCc1csc(-c2c(N)nsc2N2CCCNC(=O)C2)n1
InChIInChI=1S/C12H15N5OS2/c1-7-6-19-11(15-7)9-10(13)16-20-12(9)17-4-2-3-14-8(18)5-17/h6H,2-5H2,1H3,(H2,13,16)(H,14,18)
InChIKeyOZOGPZQASGPIPB-UHFFFAOYSA-N
XLogP1.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one?
The IUPAC name of 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one (CID 103349465) is 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one is Cc1csc(-c2c(N)nsc2N2CCCNC(=O)C2)n1.
What is the InChIKey of 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one?
The InChIKey is OZOGPZQASGPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-7-6-19-11(15-7)9-10(13)16-20-12(9)17-4-2-3-14-8(18)5-17/h6H,2-5H2,1H3,(H2,13,16)(H,14,18).
What are the key properties of 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one?
4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one has a molecular weight of 309.42 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-1,4-diazepan-2-one is sourced from PubChem (CID 103349465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).